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canSAR1767357
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCNC(=O)[C@H](CC(=O)O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O
    InChI
    InChI=1S/C45H71N11O17/c1-2-3-4-5-6-7-8-9-10-11-16-49-39(66)30(21-38(64)65)51-32(23-57)43(70)53-27(17-25-12-14-26(59)15-13-25)41(68)54-28(18-34(46)60)40(67)50-22-37(63)52-29(19-35(47)61)42(69)56-33(24-58)44(71)55-31(45(72)73)20-36(48)62/h12-15,27-33,51,57-59H,2-11,16-24H2,1H3,(H2,46,60)(H2,47,61)(H2,48,62)(H,49,66)(H,50,67)(H,52,63)(H,53,70)(H,54,68)(H,55,71)(H,56,69)(H,64,65)(H,72,73)/t27-,28-,29+,30+,31+,32-,33+/m1/s1
    MOLECULAR FORMULA
    C45H71N11O17
    CROSS REFERENCES
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    canSAR1767357

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1037.50
    AlogP -4.99
    HBond donors 19
    HBond acceptors 28
    Atoms 144
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1767357.